N-(2-chlorophenyl)-2-(1-hexoxyindol-3-yl)acetamide
PubChem CID: 141490304
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| Compound Synonyms | CHEMBL4780164, N-(2-chlorophenyl)-2-(1-hexoxyindol-3-yl)acetamide |
|---|---|
| Topological Polar Surface Area | 43.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 27.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 462.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | N-(2-chlorophenyl)-2-(1-hexoxyindol-3-yl)acetamide |
| Prediction Hob | 1.0 |
| Xlogp | 6.1 |
| Molecular Formula | C22H25ClN2O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DIYPRSSNUYXJGD-UHFFFAOYSA-N |
| Fcsp3 | 0.3181818181818182 |
| Logs | -6.7 |
| Rotatable Bond Count | 9.0 |
| Logd | 4.637 |
| Compound Name | N-(2-chlorophenyl)-2-(1-hexoxyindol-3-yl)acetamide |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 384.16 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 384.16 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 384.9 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.245634511111111 |
| Inchi | InChI=1S/C22H25ClN2O2/c1-2-3-4-9-14-27-25-16-17(18-10-5-8-13-21(18)25)15-22(26)24-20-12-7-6-11-19(20)23/h5-8,10-13,16H,2-4,9,14-15H2,1H3,(H,24,26) |
| Smiles | CCCCCCON1C=C(C2=CC=CC=C21)CC(=O)NC3=CC=CC=C3Cl |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Isatis Tinctoria (Plant) Rel Props:Source_db:cmaup_ingredients